N-[2-(4-methylanilino)phenyl]-2-(2,3,6-trimethylphenoxy)acetamide

C24H26N2O2 — CID 108767365

IUPACN-[2-(4-methylanilino)phenyl]-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCc1ccc(Nc2ccccc2NC(=O)COc2c(C)ccc(C)c2C)cc1
InChIInChI=1S/C24H26N2O2/c1-16-9-13-20(14-10-16)25-21-7-5-6-8-22(21)26-23(27)15-28-24-18(3)12-11-17(2)19(24)4/h5-14,25H,15H2,1-4H3,(H,26,27)
InChIKeyBORCKYFSMYBFKK-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.68
Rot. Bonds6

About N-[2-(4-methylanilino)phenyl]-2-(2,3,6-trimethylphenoxy)acetamide

N-[2-(4-methylanilino)phenyl]-2-(2,3,6-trimethylphenoxy)acetamide (PubChem CID 108767365) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-[2-(4-methylanilino)phenyl]-2-(2,3,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-methylanilino)phenyl]-2-(2,3,6-trimethylphenoxy)acetamide
PubChem CID108767365
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC NameN-[2-(4-methylanilino)phenyl]-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCc1ccc(Nc2ccccc2NC(=O)COc2c(C)ccc(C)c2C)cc1
InChIInChI=1S/C24H26N2O2/c1-16-9-13-20(14-10-16)25-21-7-5-6-8-22(21)26-23(27)15-28-24-18(3)12-11-17(2)19(24)4/h5-14,25H,15H2,1-4H3,(H,26,27)
InChIKeyBORCKYFSMYBFKK-UHFFFAOYSA-N
XLogP5.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[2-(4-methylanilino)phenyl]acetamide
CID 108767360
N-(2-chlorophenyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 731196
N-[2-(4-methylanilino)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 108745039
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
N-[2-(4-methylanilino)phenyl]acetamide
CID 21106134
N-(2-anilinophenyl)-2-phenoxyacetamide
CID 23903366
N-[4-(2,3-dimethylanilino)phenyl]-2-phenoxyacetamide
CID 112986448
2,2,2-trifluoro-N-[[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]acetamide
CID 108934099
N-[4-(2-fluoroanilino)phenyl]-2-(4-methylphenoxy)acetamide
CID 112986773
2-(4-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 836156
N-(4-nitrophenyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 2791138
N-(3-aminophenyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 43345548

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylanilino)phenyl]-2-(2,3,6-trimethylphenoxy)acetamide?
The IUPAC name of N-[2-(4-methylanilino)phenyl]-2-(2,3,6-trimethylphenoxy)acetamide (CID 108767365) is N-[2-(4-methylanilino)phenyl]-2-(2,3,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-methylanilino)phenyl]-2-(2,3,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-[2-(4-methylanilino)phenyl]-2-(2,3,6-trimethylphenoxy)acetamide is Cc1ccc(Nc2ccccc2NC(=O)COc2c(C)ccc(C)c2C)cc1.
What is the InChIKey of N-[2-(4-methylanilino)phenyl]-2-(2,3,6-trimethylphenoxy)acetamide?
The InChIKey is BORCKYFSMYBFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-16-9-13-20(14-10-16)25-21-7-5-6-8-22(21)26-23(27)15-28-24-18(3)12-11-17(2)19(24)4/h5-14,25H,15H2,1-4H3,(H,26,27).
What are the key properties of N-[2-(4-methylanilino)phenyl]-2-(2,3,6-trimethylphenoxy)acetamide?
N-[2-(4-methylanilino)phenyl]-2-(2,3,6-trimethylphenoxy)acetamide has a molecular weight of 374.48 g/mol, XLogP of 5.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylanilino)phenyl]-2-(2,3,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 108767365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).